SCHEMBL17670976

SCHEMBL17670976

CC1c2cccc(C#N)c2CN1C(=O)Cc1c(Cl)cccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 11/20 0.61
CYP3A4 P08684 2/20 0.43
HTR1A P08908 1/20 0.43
HTR2B P41595 1/20 0.42
CACNA1B Q00975 1/20 0.42
AGTR2 P50052 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36
HBB P68871 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
AKR1B1 P15121 1/20 0.36
MAPT P10636 1/20 0.36
AR P10275 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17674701 0.89 DRD1 (0.71) DRD1CYP3A4HTR1AHTR2BCACNA1B
SCHEMBL17671061 0.89 DRD1 (0.65) DRD1CYP3A4HTR1AHTR2BCACNA1B
SCHEMBL17674672 0.89 DRD1 (0.71) DRD1CYP3A4HTR1AHTR2BCACNA1B
SCHEMBL17671040 0.88 DRD1 (0.53) DRD1CYP3A4HTR1AHTR2BCACNA1B
SCHEMBL17671026 0.86 DRD1 (0.51) DRD1CYP3A4HTR1AHTR2BCACNA1B
SCHEMBL19500942 0.85 DRD1 (0.67) DRD1CYP3A4HTR1AHTR2BCACNA1B
SCHEMBL19500941 0.85 DRD1 (0.67) DRD1CYP3A4HTR1AHTR2BCACNA1B
SCHEMBL17670980 0.84 DRD1 (0.61) DRD1CYP3A4HTR1AHTR2BCACNA1B
SCHEMBL17670991 0.83 DRD1 (0.60) DRD1CYP3A4HTR1AHTR2BCACNA1B
SCHEMBL17682369 0.83 DRD1 (0.60) DRD1CYP3A4HTR1AHTR2BCACNA1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3204374-B1 ISOINDOLINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2019-04-03 EP disclosed
EP-3204374-B1 ISOINDOLINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2019-04-03 EP disclosed
US-9975873-B2 Isoindoline derivatives UCB BIOPHARMA SPRL (BE) 2018-05-22 US disclosed
US-9975873-B2 Isoindoline derivatives UCB BIOPHARMA SPRL (BE) 2018-05-22 US disclosed
US-20170313677-A1 Isoindoline Derivatives UCB BIOPHARMA SPRL (BE) 2017-11-02 US disclosed
US-20170313677-A1 Isoindoline Derivatives UCB BIOPHARMA SPRL (BE) 2017-11-02 US disclosed
EP-3204374-A1 ISOINDOLINE DERIVATIVES UCB Biopharma SPRL (BE) 2017-08-16 EP disclosed
WO-2016055482-A1 ISOINDOLINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2016-04-14 WO disclosed
WO-2016055482-A1 ISOINDOLINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2016-04-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170313677-A1 Isoindoline Derivatives OPRD1, ADRA1D, DRD2 DRD1 6/4885CYP3A4 693/4885HTR1A 20/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.